[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate

C17H12FN3O3S — CID 7783697

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12FN3O3S/c18-13-3-1-11(2-4-13)14-10-25-17(20-14)21-15(22)9-24-16(23)12-5-7-19-8-6-12/h1-8,10H,9H2,(H,20,21,22)
InChIKeyMUVZFHSSPJSVKH-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.14
Rot. Bonds5

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 7783697) has the molecular formula C17H12FN3O3S and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID7783697
Molecular FormulaC17H12FN3O3S
Molecular Weight357.37 g/mol
Exact Mass357.06
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12FN3O3S/c18-13-3-1-11(2-4-13)14-10-25-17(20-14)21-15(22)9-24-16(23)12-5-7-19-8-6-12/h1-8,10H,9H2,(H,20,21,22)
InChIKeyMUVZFHSSPJSVKH-UHFFFAOYSA-N
XLogP3.14
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
CID 719362
2-(3-fluorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 8123755
Ethyl 2-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2314998
[(4-Phenyl-1,3-thiazol-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2361839
2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18127531
[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2166024
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2447914
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834111
2-(3-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 8123627
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 652422

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate (CID 7783697) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is MUVZFHSSPJSVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3S/c18-13-3-1-11(2-4-13)14-10-25-17(20-14)21-15(22)9-24-16(23)12-5-7-19-8-6-12/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7783697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).